General Information of the Compound
| Compound ID |
CP0108183
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| Compound Name |
US8618286, 2
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| Structure |
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| Formula |
C20H26N4OS
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| Molecular Weight |
370.522
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| Canonical SMILES |
CN1CCCC1CCN1CCOc2cc(ccc12)N=C(N)c1cccs1
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| InChI |
InChI=1S/C20H26N4OS/c1-23-9-2-4-16(23)8-10-24-11-12-25-18-14-15(6-7-17(18)24)22-20(21)19-5-3-13-26-19/h3,5-7,13-14,16H,2,4,8-12H2,1H3,(H2,21,22)
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| InChIKey |
YIEYZIOGVYDXMB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound